pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.47	Baltruschat ChEMBL	0	-1	O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1	O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc12)N1CCCCC1	mol21682	O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1